6-((1-(2-(7-chloroquinolin-4-ylamino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)-N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine | 1335447-57-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-((1-(2-(7-chloroquinolin-4-ylamino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)-N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine
• 英文别名: 6-[[1-[2-[(7-chloro-4-quinolyl)amino]ethyl]triazol-4-yl]methoxy]-N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine；6-[[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methoxy]-4-N-(2,6-dimethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
• CAS: 1335447-57-8
• 化学式: C₂₇H₂₉ClN₁₀O
• 分子量: 545.047
• InChiKey: NETXONAHXDBYEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (4,6-dichloro-[1,3,5]triazin-2-yl)-(2,6-dimethylphenyl)amine 在 copper(ll) sulfate pentahydrate 、 potassium carbonate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 、 叔丁醇 为溶剂， 反应 7.0h， 生成 6-((1-(2-(7-chloroquinolin-4-ylamino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)-N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis of 4-aminoquinoline-1,2,3-triazole and 4-aminoquinoline-1,2,3-triazole-1,3,5-triazine Hybrids as Potential Antimalarial Agents

  摘要：

  We report herein synthesis of a series of 4‐aminoquinoline‐1,2,3‐triazole and 4‐aminoquinoline‐1,2,3‐triazole‐1,3,5‐triazine hybrids and evaluate their antimalarial activity against D6 and W2 strains of Plasmodium falciparum. To study the structure–activity relationship of substituted 4‐aminoquinoline–based hybrids, 34 structurally diverse compounds were synthesized and tested against D6 and W2 strains of P. falciparum. Some of the compounds have shown promising antimalarial activity without toxicity against Vero cells.

  DOI：

  10.1111/j.1747-0285.2011.01115.x

文献信息

• Synthesis of 4-aminoquinoline-1,2,3-triazole and 4-aminoquinoline-1,2,3-triazole-1,3,5-triazine Hybrids as Potential Antimalarial Agents
  作者：Sunny Manohar、Shabana I. Khan、Diwan S. Rawat

  DOI：10.1111/j.1747-0285.2011.01115.x

  日期：2011.7

  We report herein synthesis of a series of 4‐aminoquinoline‐1,2,3‐triazole and 4‐aminoquinoline‐1,2,3‐triazole‐1,3,5‐triazine hybrids and evaluate their antimalarial activity against D6 and W2 strains of Plasmodium falciparum. To study the structure–activity relationship of substituted 4‐aminoquinoline–based hybrids, 34 structurally diverse compounds were synthesized and tested against D6 and W2 strains of P. falciparum. Some of the compounds have shown promising antimalarial activity without toxicity against Vero cells.